SCHEMBL3334702

SCHEMBL3334702

CC(C)Oc1ncnc2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.43
NCOA1 Q15788 3/20 0.43
NCOA3 Q9Y6Q9 3/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALK Q9UM73 1/20 0.42
EGFR P00533 1/20 0.42
HPGD P15428 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL934529 0.81 ALDH1A1 (0.53) HTTLMNASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28139424 0.80 ALDH1A1 (0.52) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3865271 0.79 HTT (0.56) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17557698 0.77 HTT (0.49) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7810629 0.76 KDM4E (0.53) LMNASMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL3335456 0.76 MAP4K4 (0.56) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3335868 0.75 ADORA2A (0.45) HTTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30926459 0.75 HTT (0.61) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL2621791 0.74 GAK (0.46) HTTLMNASMN1; SMN2MAPTCCNC
SCHEMBL3332968 0.74 PIK3CA (0.57) EGFRMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 HTT 3738/4885LMNA 1130/4885SMN1; SMN2 3749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.